N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-2-phenoxy-ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-phenoxy-acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-phenoxyacetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-phenoxyacetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-2-phenoxy-acetamide Formula: C21H15IN2O2S MolecularWeight: 486.32547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H15IN2O2S/c22-14-10-11-17(23-20(25)13-26-15-6-2-1-3-7-15)16(12-14)21-24-18-8-4-5-9-19(18)27-21/h1-12H,13H2,(H,23,25)